Acta Crystallographica Section E (Feb 2010)

25,26,27,28-Tetrapropoxycalix[4]arene-5,17-dicarbonitrile

  • Jan Budka,
  • Václav Eigner,
  • Roman Holakovský,
  • Petr Kovaříček,
  • Tereza Loužilová

DOI
https://doi.org/10.1107/S1600536810002242
Journal volume & issue
Vol. 66, no. 2
pp. o419 – o420

Abstract

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In the title compound, C42H46N2O4, both crystallographically independent molecules display a 1,3-alternate conformation. Their crystal packing is stabilized by non-classical C—H...N hydrogen bonds. The dihedral angles between the planes of the aromatic rings and the mean plane through the methylene C atoms bridging the aromatic rings are 78.10 (13), 80.74 (14), 81.89 (12) and 79.05 (14)° for the first molecule, and 71.65 (11), 76.60 (13), 77.97 (14) and 74.76 (13)° for the second molecule. Both molecules have three C atoms of one propoxy chain disordered over two set of sites; the site-occupancy factors are 0.7/0.3 and 0.6/0.4, respectively.